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Compile Data Set for Download or QSAR

Found 280 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase SIK2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647342
PNG
(4-(7-(1- cyclopropyl- 1H-pyrazol-4- yl)imidazo[1,2...)
Show SMILES N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
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n/an/a 0.101n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50601538
PNG
(CHEMBL5090394)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.345n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SIK2 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human SIK2 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647344
PNG
(US20240025892, Example 51)
Show SMILES CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
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n/an/a 0.412n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647338
PNG
(US20240025892, Example 45)
Show SMILES CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
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n/an/a 0.579n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647340
PNG
(4-(7-(1-ethyl-1H- pyrazol-4- yl)imidazo[1,2- a]pyr...)
Show SMILES CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C#N)c(C)c1
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n/an/a 0.855n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647298
PNG
(2-(5-((3-methyloxetan- 3-yl)methoxy)-1H- benzo[d]i...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC5(CCN5)CC4)c3n2)COC1
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n/an/a 0.979n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50601534
PNG
(CHEMBL4539742)
Show SMILES COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647310
PNG
(US20240025892, Example 17)
Show SMILES CN1CCC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
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n/an/a 1.04n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647345
PNG
(US20240025892, Example 52)
Show SMILES CCn1cc(cn1)-c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
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n/an/a 1.11n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647348
PNG
(US20240025892, Example 55)
Show SMILES CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
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n/an/a 1.48n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647353
PNG
(2-cyclopropyl-5- (2,6-dimethoxy- 4-(7-(1-methyl- 1...)
Show SMILES COc1cc(cc(OC)c1-c1nnc(o1)C1CC1)-c1cnc2cc(ccn12)-c1cnn(C)c1
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n/an/a 1.49n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647346
PNG
(2-(4-(6-(1- cyclopropyl-1H- pyrazol-4- yl)pyrazolo...)
Show SMILES CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnn2cc(ccc12)-c1cnn(c1)C1CC1
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n/an/a 1.77n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647308
PNG
(US20240025892, Example 15)
Show SMILES CN1CC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
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n/an/a 1.91n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647303
PNG
(US20240025892, Example 10)
Show SMILES CN1CCOCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
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n/an/a 2.11n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647347
PNG
(4-(6-(1-cyclopropyl- 1H-pyrazol-4- yl)pyrazolo[1,5...)
Show SMILES N#Cc1ccc(cc1)-c1cnn2cc(ccc12)-c1cnn(c1)C1CC1
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n/an/a 2.24n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647343
PNG
(4-(7-(1- (oxetan-3-yl)- 1H-pyrazol-4- yl)imidazo[1...)
Show SMILES N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1cnn(c1)C1COC1
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n/an/a 2.34n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647337
PNG
(US20240025892, Example 44)
Show SMILES N#Cc1ccc(cc1)-n1cnc2cc(ccc12)-c1cnn(c1)C1CC1
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n/an/a 2.34n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647354
PNG
(US20240025892, Example 61)
Show SMILES CCc1nc(no1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
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n/an/a 3.07n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647309
PNG
(US20240025892, Example 16)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(C4CCNC4)c3n2)COC1
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n/an/a 3.39n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647356
PNG
(US20240025892, Example 63)
Show SMILES CCn1cc(cn1)-c1cnc2c(cnn2c1)-c1ccc(cc1)C#N
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n/an/a 3.40n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM192712
PNG
(HG-9-91-01 (1))
Show SMILES COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c(OC)c1
Show InChI InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
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n/an/a 3.5n/an/an/an/a8.0n/a



Broad Institute



Assay Description
IC50‘s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP...


ACS Chem Biol 11: 2105-11 (2016)


Article DOI: 10.1021/acschembio.6b00217
BindingDB Entry DOI: 10.7270/Q23777H7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 3.5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632979
PNG
(US20230348453, Compound D7)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2Cl)cc(n1)N1CCN(CCO)CC1
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n/an/a 3.5n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50152595
PNG
(CHEMBL3780091)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of SNF1LK2 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647334
PNG
(US20240025892, Example 41)
Show SMILES Cc1ccc(CCOc2ccn3c(cnc3c2)-c2ccc(cc2)C#N)cn1
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n/an/a 4.11n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647306
PNG
(US20240025892, Example 13)
Show SMILES CC1(COc2ccn3c(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
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n/an/a 4.19n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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n/an/a 4.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647305
PNG
(US20240025892, Example 12)
Show SMILES COCCN1CCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
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n/an/a 4.90n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647315
PNG
(N-((1H- benzo[d]imidazol-2- yl)methyl)-3-(4- cyano...)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647299
PNG
(2-(5-((3-methyloxetan- 3-yl)methoxy)-1H- benzo[d]i...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC5(CCNC5)C4)c3n2)COC1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50055496
PNG
(CHEMBL3326006)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
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n/an/a 5.80n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human QIK (1 to 926 end residues) expressed in baculovirus expression system using fluorecence-labele...


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50055496
PNG
(CHEMBL3326006)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
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n/an/a 5.80n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of QIK (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647336
PNG
(US20240025892, Example 43)
Show SMILES CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM192714
PNG
(US11725011, Compound YKL-05-95 | YKL-05-095 (3))
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
Show InChI InChI=1S/C30H31ClN8O2/c1-20-5-4-6-25(31)27(20)38-19-21-17-33-29(34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37)35-28(21)39(30(38)40)26-12-11-24(41-3)18-32-26/h4-12,17-18H,13-16,19H2,1-3H3,(H,33,34,35)
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n/an/a 6n/an/an/an/a8.0n/a



Broad Institute



Assay Description
IC50‘s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP...


ACS Chem Biol 11: 2105-11 (2016)


Article DOI: 10.1021/acschembio.6b00217
BindingDB Entry DOI: 10.7270/Q23777H7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM192714
PNG
(US11725011, Compound YKL-05-95 | YKL-05-095 (3))
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
Show InChI InChI=1S/C30H31ClN8O2/c1-20-5-4-6-25(31)27(20)38-19-21-17-33-29(34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37)35-28(21)39(30(38)40)26-12-11-24(41-3)18-32-26/h4-12,17-18H,13-16,19H2,1-3H3,(H,33,34,35)
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BindingDB Entry DOI: 10.7270/Q2GH9P2Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647328
PNG
(US20240025892, Example 35)
Show SMILES O=C(NCc1nc2cccnc2[nH]1)c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647341
PNG
(US20240025892, Example 48)
Show SMILES N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-n1cnc(c1)C1CC1
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n/an/a 7.65n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647300
PNG
(1-(2-(5-((3- methyloxetan-3- yl)methoxy)-1H- benzo...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CC(N)C4)c3n2)COC1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647350
PNG
(2-ethyl-5-(2- methoxy-4-(7- (1-methyl-1H- pyrazol-...)
Show SMILES CCc1nnc(o1)-c1ccc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647357
PNG
(US20240025892, Example 64)
Show SMILES N#Cc1ccc(cc1)-c1cnn2cc(cnc12)-c1cnn(c1)C1CC1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50148921
PNG
(CHEMBL3770443)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
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n/an/a 9n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human SIK2


ACS Med Chem Lett 6: 1241-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647318
PNG
(N-((3H-imidazo[4,5- c]pyridin-2- yl)methyl)-3-(4- ...)
Show SMILES O=C(NCc1nc2ccncc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM647333
PNG
(2,6-dimethoxy-4-(7-((3- methyloxetan-3- yl)methoxy...)
Show SMILES COc1cc(cc(OC)c1C#N)-c1cnc2cc(OCC3(C)COC3)ccn12
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n/an/a 9.87n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632971
PNG
(N-(2-chloro-4-(fluoromethyl)thiophen- 3-yl)-2-((2-...)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632968
PNG
(N-(2-chloro-4-(fluoromethyl)thiophen- 3-yl)-2-((6-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)cc(n1)N1CCN(CCO)CC1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632967
PNG
(N-(4-chloro-2-fluorothiophen-3-yl)-2- ((6-(4-(2-hy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2F)cc(n1)N1CCN(CCO)CC1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632973
PNG
(N-(2-chloro-4-(fluoromethyl)thiophen- 3-yl)-2-((2-...)
Show SMILES CN1CCCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM632975
PNG
(N-(2-chloro-4- (difluoromethyl)thiophen-3-yl)-2-((...)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)nc(C)n1
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Ligand-Target Pair
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